Mol:FL3FACCS0049
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
2.2580 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2580 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9725 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6869 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6869 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9725 1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5043 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7899 0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0755 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0755 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7899 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5043 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6390 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3535 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3535 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6390 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0245 0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6390 -1.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7899 -1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2983 1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3890 0.1819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1515 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7390 -1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9410 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1478 -1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5602 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3583 -0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9623 0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3890 -1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5051 -1.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 15 1 0 0 0 0
S SKP 5
ID FL3FACCS0049
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)cc(c(O)c2)O)C(O)C1O
M END
